Journal of Solid State Chemistry最新文献

{"title":"Efficient removal of chlortetracycline hydrochloride from water by novel yttrium-based metal-organic gels: Synthesis, kinetics, isotherms and mechanisms","authors":"Yizhe Wu ,&nbsp;Yang Sun ,&nbsp;Yiwen Gao ,&nbsp;Donglei Zou ,&nbsp;Wentian Sun ,&nbsp;Yangxue Li","doi":"10.1016/j.jssc.2025.125403","DOIUrl":"10.1016/j.jssc.2025.125403","url":null,"abstract":"<div><div>The pervasive presence of antibiotics, particularly chlortetracycline hydrochloride (CTC), in environmental systems presents significant risks, including the contamination of water sources and potential threats to ecological system. Adsorption technology offers a promising solution for CTC remediation. Herein, yttrium-based metal-organic gels (Y-MOGs), synthesized under room conditions, exhibit hierarchical porous structures, which could act as innovative adsorbents for the removal of CTC from aqueous solutions. The study further explored adsorption kinetics, isotherms, and key influencing factors (dosage, pH, ionic strength, and ionic species), revealing that pore-filling effects, π-π interactions, hydrogen bondings, electrostatic interactions and coordination bonds play pivotal roles in the adsorption mechanism. Besides, response surface methodology (RSM) was employed to optimize the adsorption process. Particularly, the Langmuir model showed a maximum adsorption capacity of 238.10 mg·g⁻¹ at 298 K for CTC by Y-MOGs. Overall, this work underscores the structural and functional advantages of Y-MOGs, offering a sustainable and effective approach for addressing CTC-contaminated wastewater.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125403"},"PeriodicalIF":3.2,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143899219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Renewable uranium-based organic framework for removal of cationic herbicides via synergistic adsorption and photodegradation","authors":"Huiping Chen ,&nbsp;Guang Che ,&nbsp;Qiusheng Cui ,&nbsp;Tieping Cao ,&nbsp;Meiling Li ,&nbsp;Chunhong Shao","doi":"10.1016/j.jssc.2025.125402","DOIUrl":"10.1016/j.jssc.2025.125402","url":null,"abstract":"<div><div>The advancement of innovative materials that integrate multiple functionalities presents a promising strategy for the eco-friendly management of water pollution. Among the various methods available, adsorption and photodegradation are particularly noteworthy due to their operational simplicity and energy efficiency. In this work, we present a bifunctional material developed from a uranium-based organic framework named <strong>UL-1</strong>, which is characterized by its high stability and porosity, enabling significant photocatalytic capabilities. This framework effectively captures the cationic herbicide diquat through electrostatic interactions, while simultaneously facilitating its degradation via photocatalytic processes. Notably, it demonstrates a maximum adsorption capacity of 89.91 mg g⁻¹ and achieves a removal efficiency of 100 %. The primary mechanism of removal involves the generation of reactive oxygen species upon exposure to visible light, which enhances the breakdown and mineralization of diquat into less toxic byproducts. Additionally, <strong>UL-1</strong> demonstrates remarkable recyclability, as it can be reactivated through the photodegradation of diquat with only minimal performance decline observed after multiple cycles of adsorption and regeneration. This work highlights the potential of uranium-based organic framework as an effective multifunctional material for pollutant remediation and underscores its significance in sustainable water resource management strategies.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125402"},"PeriodicalIF":3.2,"publicationDate":"2025-04-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898401","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Crystal structure and optical properties characterization in quasi-0D lead-free organic-inorganic hybrid crystals (C6H16N)2MX4 (M = Zn, Mn; X = Br, Cl)","authors":"Zhixu Liu ,&nbsp;Jiayou Zhang ,&nbsp;Yifan Xu ,&nbsp;Pengcheng Li ,&nbsp;Xiaochen Zhao ,&nbsp;Wei Zhou ,&nbsp;Shouyu Wang ,&nbsp;Weifang Liu","doi":"10.1016/j.jssc.2025.125396","DOIUrl":"10.1016/j.jssc.2025.125396","url":null,"abstract":"<div><div>Organic-inorganic hybrid perovskites are promising for optoelectronic applications due to their tunable band gaps and exceptional photophysical properties. We synthesized three perovskite derivatives, (C₆H₁₆N)₂ZnBr₄ (1), (C₆H₁₆N)₂MnBr₄ (2), and (C₆H₁₆N)₂MnCl₄ (3), via solution evaporation. Single-crystal X-ray diffraction confirmed monoclinic structures (space group <em>P21/n</em>) with refined reliability factors (1: R1 = 0.0915, w<em>R</em>2 = 0.2424; 2: R1 = 0.0238, w<em>R</em>2 = 0.0582). Lattice parameters for 1 (a = 9.4029(2) Å, b = 18.1735(4) Å, c = 12.9582(3) Å) and 2 (a = 9.3503(10) Å, b = 18.2398(10) Å, c = 12.8888(10) Å) indicate structural consistency. Experimental band gaps (4.45 eV for 1, 1.6 eV for 2, 2.96 eV for 3) align with first-principles calculations (4.51, 2.74, 2.87 eV). Thermogravimetric analysis revealed thermal stability below 250 °C. Notably, 1 exhibits unusual blue emission (quantum yield: 0.12 %, lifetime: 5.97 ns), while Mn-doped 2 and 3 show green luminescence with enhanced efficiencies (quantum yields: 14.6 % and 47.7 %; lifetimes: 1.08 μs and 32.52 μs). First-principles calculations further identify antiferromagnetic ordering in 2 and 3 due to Mn-3d interactions. The high quantum yield (47.7 %) and prolonged lifetime (32.52 μs) of 3 demonstrate its potential as a luminescent material.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125396"},"PeriodicalIF":3.2,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887323","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Construction of rectangular microporous Cerium 3D metal organic framework for high performance energy storage devices","authors":"Muhammad Shahbaz ,&nbsp;Shahzad Sharif ,&nbsp;Tayyaba Tur Rehman Afzal ,&nbsp;Sundas Shahzad ,&nbsp;Ayesha Shahzad ,&nbsp;Onur Şahin ,&nbsp;Abdulaziz Bentalib ,&nbsp;Abdulrahman Bin Jumah ,&nbsp;Sajjad Hussain ,&nbsp;Nadir Ali Khan","doi":"10.1016/j.jssc.2025.125394","DOIUrl":"10.1016/j.jssc.2025.125394","url":null,"abstract":"<div><div>In modern era, there is a dire need to design a hybrid energy storage device showing properties of both supercapacitors and batteries. No doubt, various electrode materials have claimed their efficiency but metal organic frameworks (MOFs) have been focused significantly due to their salient features like high porosity and unique electrochemical properties. In this article, we report cerium-based 3D MOF having rectangular microspore sizes 0.27 × 0.52 nm for rapid and selective transport of charges to be used in hybrid energy storage devices. Structural elucidation was carried out thought single-crystal X-ray diffraction (XRD) spectroscopy and electrochemical attributes were delved via different electroanalytical tools. Three-electrode assembly in 1 M KOH electrolyte unearthed efficiency of the synthesized material and practical applications were divulged through two-electrode assembly by fabricated hybrid device. Diffusive and capacitive contribution of the material was investigated by Dunn's method. The hybrid device showed specific capacityof 101.3 C/g, specific energy of 21.11 Wh/kg and specific power of 1237.78 W/kg with cyclic stability of 99 % even after 5000 GCD cycles. Significant results proved that the material is a prospective contender for futuristic hybrid supercapacitors.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125394"},"PeriodicalIF":3.2,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143892246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Dual synthesis routes to dysprosium activated Y2Mo3O12 Phosphors: Structural and luminescence insights","authors":"R. Satheesh ,&nbsp;S.P. Anusree ,&nbsp;Annamma John ,&nbsp;K.M. Nissamudeen ,&nbsp;H. Padma Kumar","doi":"10.1016/j.jssc.2025.125387","DOIUrl":"10.1016/j.jssc.2025.125387","url":null,"abstract":"<div><div>Conventional solid-state ceramic techniques and the solution combustion method were employed to synthesize Y_2-xDy_xMo₃O₁₂ compounds. X-ray diffraction studies of samples synthesized by both methods reveal diffuse spectra, indicating the presence of Y₂Mo₃O₁₂. 3H₂O phase. High-temperature (HT) X-ray diffraction of the optimum Dy³⁺ doped sample synthesized by both methods showed an orthorhombic Y₂Mo₃O₁₂ crystal structure, but with different space groups, which was subjected to Rietveld refinement. This structural variation in Y_2-xDy_xMo₃O₁₂ compounds, influenced by Dy³⁺ doping and synthesis route, was studied based on the vibrations of the MoO₄ tetrahedra in Y_2-xDy_xMo₃O₁₂ compounds using Raman and Infrared vibrational analyses. The relative intensity changes observed in the <span><math><mrow><msub><mrow><mspace></mspace><mi>ν</mi></mrow><mn>1</mn></msub><mrow><mo>(</mo><msub><mi>A</mi><mn>1</mn></msub><mo>)</mo></mrow></mrow></math></span> and <span><math><mrow><msub><mi>ν</mi><mn>3</mn></msub><mrow><mo>(</mo><msub><mi>F</mi><mn>2</mn></msub><mo>)</mo></mrow></mrow></math></span> stretching modes with increasing Dy³⁺ doping concentration in combustion synthesized Y_2-xDy_xMo₃O₁₂ compounds support the structural phase difference observations in diffraction studies. The diffuse reflection spectra of Y_2-xDy_xMo₃O₁₂ compounds synthesized by both methods showed absorption bands corresponding to the intra f-f transition of the Dy³⁺ ion. The band gap of solid-state synthesized Y_2-xDy_xMo₃O₁₂ samples exhibits a dependence on Dy³⁺ ion concentration, unlike combustion synthesized samples. Y_2-xDy_xMo₃O₁₂ phosphors synthesized by the combustion technique showed a more intense emission spectrum. The average lifetime of the yellow emission line in the optimum Dy³⁺ doped sample in Y₂Mo₃O₁₂ host was 113 <span><math><mrow><mi>μ</mi></mrow></math></span> s for the solid-state synthesized sample and 30 <span><math><mrow><mi>μ</mi></mrow></math></span> s for the combustion synthesized sample. The CIE and CCT values of Y_2-xDy_xMo₃O₁₂ phosphors synthesized by both methods demonstrated their suitability for warm white LED applications.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125387"},"PeriodicalIF":3.2,"publicationDate":"2025-04-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143906996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"First-principles investigation on the impact of interstitial Mg in KDP crystals on laser-induced damage threshold","authors":"Jiachen Zhu ,&nbsp;Tingyu Liu ,&nbsp;Wei Hong ,&nbsp;Hao Hu ,&nbsp;Longfeng Zhao","doi":"10.1016/j.jssc.2025.125399","DOIUrl":"10.1016/j.jssc.2025.125399","url":null,"abstract":"<div><div>Potassium dihydrogen phosphate (KDP) crystals play a crucial role in inertial confinement fusion (ICF), and their damage threshold has become a significant area of research. This work employs first-principles methods to investigate whether the lattice distortion and optical property caused by Mg_i in KDP crystals have a negative effect on the laser-induced damage threshold (LIDT). The formation energies of defects were corrected using the FNV method. Two defect transition energy levels within the band gap were obtained: ε(0/+1) = 2.45eV and ε(+1/+2) = 3.86eV. The presence of interstitial Mg caused large lattice distortion, which aligns with experimental findings. By considering electron-phonon coupling and introducing the Huang-Rhys factor, we obtained the photoluminescence absorption spectrum. The calculated absorption peaks locate at 352 nm, 273 nm, 196 nm, and 188 nm, respectively. The presence of the new optical absorption and large lattice distortion will reduce its LIDT in KDP crystal.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125399"},"PeriodicalIF":3.2,"publicationDate":"2025-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143887324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing CO2 photoreduction efficiency via direct Z-scheme CuS/NH2-UiO-66 heterojunction with high selectivity of CO2 to CO","authors":"Yu-Jie Zhang ,&nbsp;Xue-Qing Jiang ,&nbsp;Ming-Jiao Jiang ,&nbsp;Wen-Wen Dong ,&nbsp;Jun Zhao ,&nbsp;Dong-Sheng Li","doi":"10.1016/j.jssc.2025.125398","DOIUrl":"10.1016/j.jssc.2025.125398","url":null,"abstract":"<div><div>The exceptional redox characteristics and efficient photoinduced charge carrier transfer in heterostructures play a pivotal role in enhancing photocatalytic performance. In this study, we developed a precisely engineered direct Z-scheme heterojunction through the in situ solvothermal synthesis of CuS on the textured surface of NH₂-UiO-66. This strategic integration of the highly photosensitive CuS with NH₂-UiO-66 not only maximizes visible light harvesting but also facilitates interfacial electron transfer at the semiconductor-MOF junction, effectively suppressing photo-corrosion while dramatically boosting the CO₂ photoreduction capability. Comprehensive characterization revealed robust interfacial coupling between NH₂-UiO-66 and the deposited CuS nanoparticles. The optimized CuS/NH₂-UiO-66-3 heterostructure demonstrated outstanding photocatalytic performance, achieving a CO evolution rate of 208.7 μmol g⁻¹ during 4 h of illumination with nearly perfect CO selectivity (∼100 %), surpassing the performance of pristine NH₂-UiO-66 (62.5 μmol g⁻¹) and CuS (13.4 μmol g⁻¹). This synergetic effect may pave the way for the rational construction of new highly efficient MOF-based heterogeneous photocatalysts.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125398"},"PeriodicalIF":3.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143873352","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Integrating experimental and computational tools for adsorptive removal of Dicamba using UiO-66(Zr)-impregnated cholinium alanate ionic liquid","authors":"Norlaylawate Mohd Kama ,&nbsp;Noor Fazrieyana Hamidon ,&nbsp;Hayati Mukhair ,&nbsp;Erma Fatiha Muhammad ,&nbsp;Hayyiratul Fatimah Mohd Zaid ,&nbsp;Yeek Chia Ho ,&nbsp;Nur Nadhirah Mohamad Zain ,&nbsp;Marzhan S. Kalmakhanova ,&nbsp;Khairulazhar Jumbri","doi":"10.1016/j.jssc.2025.125386","DOIUrl":"10.1016/j.jssc.2025.125386","url":null,"abstract":"<div><div>Dicamba herbicide contamination in water sources poses significant environmental risks, necessitating effective removal strategies. This study investigates the development of hybrid adsorbents by incorporating [Ch][Ala] ionic liquid into UiO-66(Zr) metal-organic frameworks to enhance adsorption performance. The hybrid materials were synthesized and characterized using NMR, XRD, FESEM, BET, FTIR, and TGA, confirming structural stability and successful incorporation of [Ch][Ala]. Adsorption experiments, optimized using response surface methodology (RSM) and machine learning, demonstrated that the 5 % [Ch][Ala]-loaded hybrid achieved a maximum Dicamba removal efficiency of 99.51 %. The adsorption followed the pseudo-second-order model, indicating the chemisorption is the primary control mechanism in the adsorption process. Isotherm studies revealed that the adsorption data fit well with the Langmuir isotherm model, indicating monolayer adsorption on homogeneous surfaces with the maximum adsorption capacities of 72.31 and 78.02 mg/g for pristine and UiO-66(Zr)/[Ch][Ala]@5 %, respectively. The adsorption thermodynamics confirmed the feasibility of the reaction and spontaneity of the adsorption process. The enhancement in adsorption capacity of Dicamba can be attributed to functional groups introduced by [Ch][Ala], through π–π and hydrogen bonding which enhance interactions between the adsorbate and hybrid MOF adsorbent.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125386"},"PeriodicalIF":3.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882595","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unveiling the potential of rare-earth XCuSeO (X = Dy, Sm) oxychalcogenides for high-performance UV shielding and photovoltaics","authors":"Banat Gul ,&nbsp;Mohannad Mahmoud Ali Al-Hmoud ,&nbsp;Muhammad Salman Khan ,&nbsp;Siti Maisarah Aziz","doi":"10.1016/j.jssc.2025.125389","DOIUrl":"10.1016/j.jssc.2025.125389","url":null,"abstract":"<div><div>With the density functional theory and the Tran-Blaha modified Becke-Johnson potential, the work explores the structural, electronic, optical, and thermoelectric features of DyCuSeO and SmCuSeO compounds. The thermodynamic stability of both compounds is demonstrated by formation energy predictions, with SmCuSeO displaying slightly stronger internal bonding because of its lower cohesive energy (−4.32 eV/atom compared to −4.12 eV/atom for DyCuSeO). Electronic band structure studies have identified direct band gaps; DyCuSeO has a greater band gap of 2.38 eV than SmCuSeO (0.41 eV). The valence band is significantly impacted by Cu-d, Se-p, and O-p orbitals, according to the density of states (DOS) study, but the conduction band is also affected by Dy/Sm-f states. Band separation is increased by DyCuSeO's larger spin-orbit coupling effects. DyCuSeO (<em>ε</em>₁(0) = 6.0, n(0) = 5.5), optical study shows that SmCuSeO has a greater static dielectric constant (<em>ε</em>₁(0) = 9.0) and refractive index (n(0) = 3.0), implying stronger electronic polarization. With bulk plasmon resonance energies at 17.5 eV (DyCuSeO) and 17.0 eV (SmCuSeO), both materials exhibit important absorption in the visible and near-infrared spectrum. Based on thermoelectric calculations, electronic thermal conductivity rises with temperatures, reaching 1.35 × 10¹⁴ W/mK for DyCuSeO and 1.18 × 10¹⁴ W/mK for SmCuSeO at 600 K. They are interesting candidates for thermoelectric applications as their figure of merit increases along the temperature, approaching 0.133 in DyCuSeO and 0.129 in SmCuSeO at 600 K. DyCuSeO and SmCuSeO have good electronic, optical, and thermoelectric characteristics that make them appropriate for energy-harvesting and optoelectronic applications.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125389"},"PeriodicalIF":3.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143877337","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Enhancing the oxidative desulfurisation performance of molybdenum-based catalysts by modification of UiO-66 with functional ligands","authors":"Gao Shuang ,&nbsp;Yu Yue ,&nbsp;Li Yun-heng ,&nbsp;Yao Sheng-yi ,&nbsp;Song Ya-kai ,&nbsp;Niu Lu-hao ,&nbsp;Chen Xiao-lu","doi":"10.1016/j.jssc.2025.125397","DOIUrl":"10.1016/j.jssc.2025.125397","url":null,"abstract":"<div><div>A series of molybdenum-based catalysts were prepared using UiO-66 modified with functional ligands as a carrier. The catalyst structure was characterised using XRD, FT-IR, N₂ adsorption desorption isotherms, TEM and XPS. The introduction of –F atom expanded the pore structure of catalyst and increased the specific surface area, resulting in a greater number of active site and more dispersion. The introduction of functional ligands (-F, –NO₂) enhanced the electron attraction capacity of catalyst, and improved the microenvironment around the active centre of the catalyst, which contributed to enhance the catalytic performance. The effect of catalyst structure on catalytic activity was investigated using the removal of dibenzothiophene (DBT) from simulated oils as a probe reaction. Under the optimum reaction conditions, the catalyst (UiO-66-NO₂-F-MoO₃) was found to be the most effective for the DBT conversion, reached 99.1 %. After 5 desulfurization experiments, the desulfurization activity of the catalyst cound still reach 90.6 %, indicating that the catalyst had good cyclic stability, which was closely connected to the hydrophobicity of the –F atom. The introduction of –F atom improved the hydrophobicity of the catalyst so that the generated sulfone was not easy to be adsorbed on the active site and improved the cyclic stability of the catalyst. Furthermore, the increase in the number of Mo active species was important in improving the cyclic stability of the catalyst.</div></div>","PeriodicalId":378,"journal":{"name":"Journal of Solid State Chemistry","volume":"348 ","pages":"Article 125397"},"PeriodicalIF":3.2,"publicationDate":"2025-04-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143882473","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}